General Information of the Compound
| Compound ID |
CP0555429
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| Compound Name |
US8901315, 177
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| Formula |
C25H38N4O2S
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| Molecular Weight |
458.672
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)O1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1
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| InChI |
InChI=1S/C25H38N4O2S/c1-16-14-28(15-17(2)31-16)20-11-9-19(10-12-20)26-24(30)23-13-22-18(3)27-29(25(22)32-23)21-7-5-4-6-8-21/h13,16-17,19-21H,4-12,14-15H2,1-3H3,(H,26,30)/t16-,17+,19-,20-
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| InChIKey |
SGOLWNVVDDKBFS-BMOGMMAESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound